diethyl (4S,5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-thiazole-4,5-dicarboxylate

Systemtic Name: diethyl (4S,5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-thiazole-4,5-dicarboxylate Openeye Name: diethyl (4S,5R)-3-(4-chlorophenyl)-4,5-dihydroisothiazole-4,5-dicarboxylate CAS Name: (4S,5R)-3-(4-chlorophenyl)-4,5-dihydroisothiazole-4,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S,5R)-3-(4-chlorophenyl)-4,5-dihydro-1,2-thiazole-4,5-dicarboxylate Traditional Name: (4S,5R)-3-(4-chlorophenyl)-2-isothiazoline-4,5-dicarboxylic acid diethyl ester Formula: C15H16ClNO4S MolecularWeight: 341.80984

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(SN=C1C2=CC=C(C=C2)Cl)C(=O)OCC

Isomeric SMILES

CCOC(=O)[C@H]1[C@@H](SN=C1C2=CC=C(C=C2)Cl)C(=O)OCC

InChI

InChI=1S/C15H16ClNO4S/c1-3-20-14(18)11-12(9-5-7-10(16)8-6-9)17-22-13(11)15(19)21-4-2/h5-8,11,13H,3-4H2,1-2H3/t11-,13-/m1/s1